SCHEMBL13785240

SCHEMBL13785240

CNC(=O)CCOC1C(O)[C@@H](CO[PH](=O)O)O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.53
▸ ADORA1 P30542 2/20 0.52
▸ DNPH1 O43598 1/20 0.52
▸ PRKAB2 O43741 1/20 0.52
▸ TRPM2 O94759 1/20 0.52
▸ LDHA P00338 1/20 0.52
▸ ADRB2 P07550 1/20 0.52
▸ FBP1 P09467 1/20 0.52
▸ SRC P12931 1/20 0.52
▸ P2RY2 P41231 1/20 0.52
▸ P2RY1 P47900 1/20 0.52
▸ PRKAG1 P54619 1/20 0.52
▸ PRKAA2 P54646 1/20 0.52
▸ PDE4D Q08499 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ PRKAA1 Q13131 1/20 0.52
▸ PDE3A Q14432 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ TAS1R3 Q7RTX0 1/20 0.52
▸ TAS1R1 Q7RTX1 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18034349 1.00 ADORA3 (0.53) ADORA3ADORA1DNPH1PRKAB2TRPM2
SCHEMBL12212814 0.88 ADORA1 (0.65) ADORA3ADORA1SMN1; SMN2TSHR
SCHEMBL2521597 0.88 ADORA1 (0.65) ADORA3ADORA1SMN1; SMN2TSHR
SCHEMBL18034317 0.88 ADORA1 (0.65) ADORA3ADORA1SMN1; SMN2TSHR
SCHEMBL2521601 0.88 ADORA1 (0.65) ADORA3ADORA1SMN1; SMN2TSHR
SCHEMBL28875944 0.83 P2RY1 (0.73) ADORA3ADORA1DNPH1PRKAB2TRPM2
SCHEMBL12212836 0.83 RNASEL (0.66) RNASEL
SCHEMBL15934403 0.82 P2RY1 (0.74) ADORA3ADORA1DNPH1PRKAB2TRPM2
SCHEMBL30325578 0.82 P2RY1 (0.74) ADORA3ADORA1DNPH1PRKAB2TRPM2
SCHEMBL21859148 0.82 P2RY1 (0.74) ADORA3ADORA1DNPH1PRKAB2TRPM2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2006293-A9 2'-HYDROXYL-MODIFIED RIBONUCLEOSIDE DERIVATIVE Tokyo Institute of Technology (JP) 2009-07-22 — — EP disclosed
EP-2006293-A2 2'-HYDROXYL-MODIFIED RIBONUCLEOSIDE DERIVATIVE Tokyo Institute of Technology (JP) 2008-12-24 — — EP disclosed
Send feedback